1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid

C16H32N2O2 — CID 62270493

IUPAC1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CN(CCN(C)C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H32N2O2/c1-14(2)12-18(11-10-17(3)4)13-16(15(19)20)8-6-5-7-9-16/h14H,5-13H2,1-4H3,(H,19,20)
InChIKeyZSNHZHOQKHIADS-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.54
Rot. Bonds8

About 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62270493) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID62270493
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CN(CCN(C)C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H32N2O2/c1-14(2)12-18(11-10-17(3)4)13-16(15(19)20)8-6-5-7-9-16/h14H,5-13H2,1-4H3,(H,19,20)
InChIKeyZSNHZHOQKHIADS-UHFFFAOYSA-N
XLogP2.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271036
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270125
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655
1-[methyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
CID 82238519
1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55055794
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255885
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 62270493) is 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid is CC(C)CN(CCN(C)C)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZSNHZHOQKHIADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-14(2)12-18(11-10-17(3)4)13-16(15(19)20)8-6-5-7-9-16/h14H,5-13H2,1-4H3,(H,19,20).
What are the key properties of 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62270493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).